Research chemical
CAS Number: 2769997-20-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
178255595
Exact Mass
832.350336
InChIKey
NTUSKKOHPUDDMW-UHFFFAOYSA-N
IUPAC Name
2-(4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoyl)oxyethyl 4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoate
SMILES String
CCCCCCCCCCCCSC(=S)SC(C)(C#N)CCC(=O)OCCOC(=O)CCC(C)(C#N)SC(=S)SCCCCCCCCCCCC
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Ethane-1,2-diyl bis(4-cyano-4-(((dodecylthio)carbonothioyl)thio)pentanoate) is identified by CAS 2769997-20-6, with molecular formula C40H68N2O4S6, molecular weight 833.4, InChIKey NTUSKKOHPUDDMW-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
52
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
33
Ring count
0
Aromatic rings
0
Topological polar surface area
100.18 Ų
Computed LogP
13.54
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Ethane-1,2-diyl bis(4-cyano-4-(((dodecylthio)carbonothioyl)thio)pentanoate) (CAS 2769997-20-6) is maintained as a commercial cas reference with formula C40H68N2O4S6, molecular weight 833. 40 g/mol, PubChem CID 178255595.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.